1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole

C6H7F5N2 — CID 173378885

IUPAC1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
SMILESFC(F)N1C=NC(CC(F)(F)F)C1
InChIInChI=1S/C6H7F5N2/c7-5(8)13-2-4(12-3-13)1-6(9,10)11/h3-5H,1-2H2
InChIKeyXZKHUYJAOIEBTK-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.87
Rot. Bonds2

About 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole

1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole (PubChem CID 173378885) has the molecular formula C6H7F5N2 and a molecular weight of 202.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
PubChem CID173378885
Molecular FormulaC6H7F5N2
Molecular Weight202.13 g/mol
Exact Mass202.05
IUPAC Name1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
SMILESFC(F)N1C=NC(CC(F)(F)F)C1
InChIInChI=1S/C6H7F5N2/c7-5(8)13-2-4(12-3-13)1-6(9,10)11/h3-5H,1-2H2
InChIKeyXZKHUYJAOIEBTK-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole (CID 173378885) is 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole is FC(F)N1C=NC(CC(F)(F)F)C1.
What is the InChIKey of 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The InChIKey is XZKHUYJAOIEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5N2/c7-5(8)13-2-4(12-3-13)1-6(9,10)11/h3-5H,1-2H2.
What are the key properties of 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole has a molecular weight of 202.13 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).